2-[[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone

C14H11N3O2S2 — CID 2744132

IUPAC2-[[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone
SMILESCc1nc(-c2nnc(SCC(=O)c3ccccc3)o2)cs1
InChIInChI=1S/C14H11N3O2S2/c1-9-15-11(7-20-9)13-16-17-14(19-13)21-8-12(18)10-5-3-2-4-6-10/h2-7H,8H2,1H3
InChIKeyZQEJCWFGFCSMIC-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.48
Rot. Bonds5

About 2-[[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone

2-[[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone (PubChem CID 2744132) has the molecular formula C14H11N3O2S2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone.

Molecular Properties

Compound Name2-[[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone
PubChem CID2744132
Molecular FormulaC14H11N3O2S2
Molecular Weight317.39 g/mol
Exact Mass317.03
IUPAC Name2-[[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone
SMILESCc1nc(-c2nnc(SCC(=O)c3ccccc3)o2)cs1
InChIInChI=1S/C14H11N3O2S2/c1-9-15-11(7-20-9)13-16-17-14(19-13)21-8-12(18)10-5-3-2-4-6-10/h2-7H,8H2,1H3
InChIKeyZQEJCWFGFCSMIC-UHFFFAOYSA-N
XLogP3.48
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone?
The IUPAC name of 2-[[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone (CID 2744132) is 2-[[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone.
What is the SMILES notation for 2-[[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone?
The canonical SMILES for 2-[[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone is Cc1nc(-c2nnc(SCC(=O)c3ccccc3)o2)cs1.
What is the InChIKey of 2-[[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone?
The InChIKey is ZQEJCWFGFCSMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S2/c1-9-15-11(7-20-9)13-16-17-14(19-13)21-8-12(18)10-5-3-2-4-6-10/h2-7H,8H2,1H3.
What are the key properties of 2-[[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone?
2-[[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone has a molecular weight of 317.39 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone is sourced from PubChem (CID 2744132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).